Table 3 NEEMP performance on a standard personal computer (Intel i7-4790K CPU @ 4.00GHz)
From: NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges
Dataset | DTP_small | DTP_large | CCD_gen and CCD_exp | |||
|---|---|---|---|---|---|---|
EEM parameterization method | LR | DE-MIN | LR | DE-MIN | LR | DE-MIN |
Running time | 54 m | 14 m | 4 h 25 m | 16 m | 9 h 24m | 25 m |